Hexafluoroacetone sesquihydrate

Base Information

• Chemical Name: Hexafluoroacetone sesquihydrate
• CAS No.: 13098-39-0
• Molecular Formula: C3F6 O . 3/2 H2 O
• Molecular Weight: 193.06
• Hs Code.: 29147000
• European Community (EC) Number: 670-379-0
• UN Number: 2552
• UNII: CU1NOZ8PS6
• DSSTox Substance ID: DTXSID7025392
• Wikidata: Q27275779
• Mol file: 13098-39-0.mol

Synonyms:hexafluoroacetone;hexafluoroacetone dihydrate;hexafluoroacetone hydrate;hexafluoroacetone monohydrate;hexafluoroacetone sesquihydrate;hexafluoroacetone trihydrate

Chemical Property of Hexafluoroacetone sesquihydrate

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 5010mmHg at 25°C
• Melting Point: 10 °C
• Boiling Point: 234.3°Cat760mmHg
• Flash Point: 104.3°C
• PSA: 61.83000
• Density: 1.496g/cm³
• LogP: 3.16730
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 0
• Exact Mass: 386.0023612
• Heavy Atom Count: 23
• Complexity: 124
• Transport DOT Label: Poison

Purity/Quality:

≥99.0% ^*data from raw suppliers

Hexafluoroacetonesesquihydrate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 24/25-36/37/38-40
• Safety Statements: 36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(F)(F)F)C(F)(F)F.C(=O)(C(F)(F)F)C(F)(F)F.O.O.O